methyl 2-[(1S)-2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[(1S)-2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate Openeye Name: methyl 2-[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenyl-ethyl]sulfanylacetate CAS Name: 2-[[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(1S)-2-(3,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylacetate Traditional Name: 2-[[(1S)-2-(3,4-dimethylanilino)-2-keto-1-phenyl-ethyl]thio]acetic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SCC(=O)OC)C

InChI

InChI=1S/C19H21NO3S/c1-13-9-10-16(11-14(13)2)20-19(22)18(24-12-17(21)23-3)15-7-5-4-6-8-15/h4-11,18H,12H2,1-3H3,(H,20,22)/t18-/m0/s1